2-(4-chloro-2-methylphenoxy)propanoic acid

C10H11ClO3 — CID 7153

IUPAC2-(4-chloro-2-methylphenoxy)propanoic acid
SMILESCc1cc(Cl)ccc1OC(C)C(=O)O
InChIInChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
InChIKeyWNTGYJSOUMFZEP-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.50
Rot. Bonds3

About 2-(4-chloro-2-methylphenoxy)propanoic acid

2-(4-chloro-2-methylphenoxy)propanoic acid (PubChem CID 7153) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)propanoic acid
PubChem CID7153
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-(4-chloro-2-methylphenoxy)propanoic acid
SMILESCc1cc(Cl)ccc1OC(C)C(=O)O
InChIInChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
InChIKeyWNTGYJSOUMFZEP-UHFFFAOYSA-N
XLogP2.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)propanoic acid?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)propanoic acid (CID 7153) is 2-(4-chloro-2-methylphenoxy)propanoic acid.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)propanoic acid?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)propanoic acid is Cc1cc(Cl)ccc1OC(C)C(=O)O.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)propanoic acid?
The InChIKey is WNTGYJSOUMFZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13).
What are the key properties of 2-(4-chloro-2-methylphenoxy)propanoic acid?
2-(4-chloro-2-methylphenoxy)propanoic acid has a molecular weight of 214.65 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)propanoic acid is sourced from PubChem (CID 7153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).